Crystallography Open Database

Information card for entry 4319700

4319699 << 4319700 >> 4319701

Preview

Coordinates	4319700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 Cu2 Mo5 N6 O25.5 P2
Calculated formula	C39 H30 Cu2 Mo5 N6 O25.5 P2
Title of publication	A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family
Authors of publication	Robert C. Finn; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2466 - 2467
a	8.8623 ± 0.0003 Å
b	16.988 ± 0.0005 Å
c	17.1166 ± 0.0005 Å
α	91.286 ± 0.001°
β	95.399 ± 0.001°
γ	102.754 ± 0.001°
Cell volume	2499.74 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319700.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319700.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319700.cif
16501	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319700 via cif-deposit CGI script.	4319700.cif